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{
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{
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{
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"structure_string": "Mn2 Sn6\n1.0\n3.219632 -5.576567 0.000000\n3.219632 5.576567 0.000000\n0.000000 0.000000 5.464165\nMn Sn\n2 6\ndirect\n0.666667 0.333333 0.250000 Mn\n0.333333 0.666667 0.750000 Mn\n0.829034 0.170966 0.750000 Sn\n0.341933 0.170966 0.750000 Sn\n0.829034 0.658067 0.750000 Sn\n0.170966 0.829034 0.250000 Sn\n0.658067 0.829034 0.250000 Sn\n0.170966 0.341933 0.250000 Sn\n",
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{
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"density_atomic": 0.08600867042057085,
"volume": 290.6683695696417,
"volume_molar": 7.001783344112333,
"formula_full": "Ni5 P4 O16",
"formula_reduced": "Ni5(PO4)4",
"formula_anonymous": "A4B5C16",
"energy": -119.35143316,
"energy_per_atom": -4.7740573264,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.65443316,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.8190898,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:08.213000Z",
"spacegroup": 2
},
{
"id": "mp-1088",
"created_at": "2022-09-04T14:48:18.214569Z",
"structure_string": "Yb1 Ga4\n1.0\n-2.171972 2.171972 5.352062\n2.171972 -2.171972 5.352062\n2.171972 2.171972 -5.352062\nYb Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.614356 0.614356 0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.385644 0.385644 0.000000 Ga\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Yb",
"Ga"
],
"chemical_system": "Ga-Yb",
"density": 7.430749474060268,
"density_atomic": 0.04950857573766763,
"volume": 100.99260432159531,
"volume_molar": 12.163833578872625,
"formula_full": "Yb1 Ga4",
"formula_reduced": "YbGa4",
"formula_anonymous": "AB4",
"energy": -15.69823831,
"energy_per_atom": -3.1396476620000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.69823831,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000385,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:55.487000Z",
"spacegroup": 139
}
]
}